324434 <common-name>(1-methyl-3,6-dihydro-2h-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenylpentanoate</common-name> <description>(1-methyl-3,6-dihydro-2h-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenylpentanoate is a chemical compound with the formula C20H29NO3. It has an average molecular weight of 331.40 g/mol.</description> <cas>102612-63-5</cas> <pubchem-id>24847630</pubchem-id> <chemical-formula>C20H29NO3</chemical-formula> <weight>331.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T01:38:18Z</created-at> <updated-at type="dateTime">2026-08-30T01:38:18Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC(CC)(C(C1=CC=CC=C1)C(=O)OCC2=CCN(CC2)C)O</moldb-smiles> <moldb-formula>C20H29NO3</moldb-formula> <moldb-inchi>InChI=1S/C20H29NO3/c1-4-20(23,5-2)18(17-9-7-6-8-10-17)19(22)24-15-16-11-13-21(3)14-12-16/h6-11,18,23H,4-5,12-15H2,1-3H3</moldb-inchi> <moldb-inchikey>CYXOVRQCXRPCQM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">331.2147438</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM320327</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(1-methyl-3,6-dihydro-2h-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenylpentanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0275089</sync-id> <structure-inchikey>CYXOVRQCXRPCQM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000002000000010000000000000010000000000000000000003000000000000000000400004000000000000000000000000000000000000040000000000004000000000000020000000000100000000000040001080000000010000000000010000000000000000020100000000000000000000000080000040800000800000000000004000020001000100000000020020000000000000000000040000000400080000000000000000000000008000000040000000000000000400000000000000000020000000000000000000200200000004000000000000000000021040000000080400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGAGAAAAACAgYAYAAAAAEDBgBgAAAAAwEGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQYAKAAA AAMECAAoAAAAAwIIACgAAAADAgYAYAAAAAICBgAoAAAAAwQGAGgAAAADAwEG AGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMIAGAAAAAB AQsAAQABAgACAwADBAACBQAFBgAGB2gMBwhoDAgJaAwJCmgMCgtoDAUMAAwN KAIMDiAODwAPEAAQEQgCERIAEhMAExQAFBUAExYAAhcACwZoDBUQAEICAAAA BgcICQoLBgYREhMUFRAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:36Z</structure-indexed-at> </compound>